9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine

C42H26N4O2 — CID 163982772

IUPAC9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine
SMILESC1=Cc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c(-c7cccc8oc9ccccc9c78)cccc56)n4)c3c2CN1
InChIInChI=1S/C42H26N4O2/c1-2-10-25(11-3-1)40-44-41(46-42(45-40)32-18-9-21-37-39(32)33-24-43-23-22-35(33)48-37)30-17-7-13-26-27(14-6-15-28(26)30)29-16-8-20-36-38(29)31-12-4-5-19-34(31)47-36/h1-23,43H,24H2
InChIKeySZVROIPQBQDFJS-UHFFFAOYSA-N
MW618.70 g/mol
LogP10.41
Rot. Bonds4

About 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine

9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine (PubChem CID 163982772) has the molecular formula C42H26N4O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine
PubChem CID163982772
Molecular FormulaC42H26N4O2
Molecular Weight618.70 g/mol
Exact Mass618.21
IUPAC Name9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine
SMILESC1=Cc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c(-c7cccc8oc9ccccc9c78)cccc56)n4)c3c2CN1
InChIInChI=1S/C42H26N4O2/c1-2-10-25(11-3-1)40-44-41(46-42(45-40)32-18-9-21-37-39(32)33-24-43-23-22-35(33)48-37)30-17-7-13-26-27(14-6-15-28(26)30)29-16-8-20-36-38(29)31-12-4-5-19-34(31)47-36/h1-23,43H,24H2
InChIKeySZVROIPQBQDFJS-UHFFFAOYSA-N
XLogP10.41
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 510.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
10-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-1,2-dihydro-[1]benzofuro[2,3-g]isoquinoline
CID 166799956
5-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785084
5-[4-dibenzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
CID 166801351
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2-(9-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742190
2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 166743487
4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 168785394
2-dibenzofuran-1-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-6-phenyl-1,3,5-triazine
CID 155049995

Frequently Asked Questions

What is the IUPAC name of 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine (CID 163982772) is 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine is C1=Cc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c(-c7cccc8oc9ccccc9c78)cccc56)n4)c3c2CN1.
What is the InChIKey of 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine?
The InChIKey is SZVROIPQBQDFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2/c1-2-10-25(11-3-1)40-44-41(46-42(45-40)32-18-9-21-37-39(32)33-24-43-23-22-35(33)48-37)30-17-7-13-26-27(14-6-15-28(26)30)29-16-8-20-36-38(29)31-12-4-5-19-34(31)47-36/h1-23,43H,24H2.
What are the key properties of 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine?
9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine has a molecular weight of 618.70 g/mol, XLogP of 10.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 163982772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).